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[(ETA(5)-C5H5)-(PPH3)(2)-RU]=C=C(C6H9)-C-(CN)-H

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[(ETA(5)-C5H5)-(PPH3)(2)-RU]=C=C(C6H9)-C-(CN)-H
SpectraBase Compound ID 1LDcO20XZdP
InChI InChI=1S/2C18H15P.C10H10N.C5H.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-7-9-6-10(9)8-4-2-1-3-5-8;1-2-4-5-3-1;/h2*1-15H;4,9H,1-3,5H2;1H;/q;;;;-2/p+2
InChIKey AJJMTCMHLZCMOD-UHFFFAOYSA-P
Mol Weight 832.9 g/mol
Molecular Formula C51H43NP2Ru
Exact Mass 833.191414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DxvjPykBGsF
Name [(ETA(5)-C5H5)-(PPH3)(2)-RU]=C=C(C6H9)-C-(CN)-H
Compound Number 3K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H41NP2Ru
InChI InChI=1S/2C18H15P.C10H10N.C5H.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-7-9-6-10(9)8-4-2-1-3-5-8;1-2-4-5-3-1;/h2*1-15H;4,9H,1-3,5H2;1H;/q;;;;-2/p+2
InChIKey AJJMTCMHLZCMOD-UHFFFAOYSA-P
Literature Reference Author P.C.TING,Y.C.LIN,G.H.LEE,M.C.CHENG,Y.WANG
Literature Reference Citation J.AM.CHEM.SOC.,118,6433(1996)
Literature Reference DOI 10.1021/ja960001k
Molecular Weight 830.911 g/mol
Sample ID 36740
Solvent CDCl3